N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide

C17H25NO2 — CID 163459212

IUPACN-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide
SMILESC=C1CCC(CCNC(=O)CC)/C1=C1\CCO\C1=C\C
InChIInChI=1S/C17H25NO2/c1-4-15-14(9-11-20-15)17-12(3)6-7-13(17)8-10-18-16(19)5-2/h4,13H,3,5-11H2,1-2H3,(H,18,19)/b15-4+,17-14+
InChIKeyBNDLMYLFDHXNGC-ITNLITPRSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds4

About N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide

N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide (PubChem CID 163459212) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide
PubChem CID163459212
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide
SMILESC=C1CCC(CCNC(=O)CC)/C1=C1\CCO\C1=C\C
InChIInChI=1S/C17H25NO2/c1-4-15-14(9-11-20-15)17-12(3)6-7-13(17)8-10-18-16(19)5-2/h4,13H,3,5-11H2,1-2H3,(H,18,19)/b15-4+,17-14+
InChIKeyBNDLMYLFDHXNGC-ITNLITPRSA-N
XLogP3.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3a,6,8b-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 66799785
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butanamide
CID 69277161
N-[2-(2,5,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]butan-1-amine
CID 69277163
N-[2-[(3aS)-2,3a,4,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 71245372
4-(5-Cyclopentyloxy-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one
CID 89670269
N-[2-(5-methyl-1,2,5,5a,6,7-hexahydrocyclopenta[e][1]benzofuran-8-ylidene)ethyl]propanamide
CID 123340751
N-[2-[2-(2-ethylideneoxolan-3-ylidene)-3-methylidenecyclopentyl]ethyl]propanamide
CID 123797094
N-[2-(2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethyl]propanamide
CID 123939625
N-(cyclopropylmethyl)propanamide;(2E,3Z)-2-ethylidene-3-prop-2-enylideneoxolane
CID 142413028
N-[2-[(8S)-2,5,5a,6,7,8-hexahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide
CID 163672061
4-(5-Cyclopentyloxy-4-methoxycyclohexa-1,5-dien-1-yl)pyrrolidin-2-one
CID 177320441

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide?
The IUPAC name of N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide (CID 163459212) is N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide is C=C1CCC(CCNC(=O)CC)/C1=C1\CCO\C1=C\C.
What is the InChIKey of N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide?
The InChIKey is BNDLMYLFDHXNGC-ITNLITPRSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-15-14(9-11-20-15)17-12(3)6-7-13(17)8-10-18-16(19)5-2/h4,13H,3,5-11H2,1-2H3,(H,18,19)/b15-4+,17-14+.
What are the key properties of N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide?
N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide has a molecular weight of 275.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2E)-2-ethylideneoxolan-3-ylidene]-3-methylidenecyclopentyl]ethyl]propanamide is sourced from PubChem (CID 163459212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).