1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one

C13H20N2O — CID 165140918

IUPAC1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one
SMILESC=C(C)NC/C=C1\CN(C(=O)CC)CC1=C
InChIInChI=1S/C13H20N2O/c1-5-13(16)15-8-11(4)12(9-15)6-7-14-10(2)3/h6,14H,2,4-5,7-9H2,1,3H3/b12-6+
InChIKeyGQCCWRMZCWDJMK-WUXMJOGZSA-N
MW220.32 g/mol
LogP1.84
Rot. Bonds4

About 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one

1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one (PubChem CID 165140918) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one
PubChem CID165140918
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one
SMILESC=C(C)NC/C=C1\CN(C(=O)CC)CC1=C
InChIInChI=1S/C13H20N2O/c1-5-13(16)15-8-11(4)12(9-15)6-7-14-10(2)3/h6,14H,2,4-5,7-9H2,1,3H3/b12-6+
InChIKeyGQCCWRMZCWDJMK-WUXMJOGZSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2H-Azepin-2-one, 1,3-dihydro-1-(2-(1-pyrrolidinyl)ethyl)-3,5,7-trimethyl-, hydrochloride
CID 15490
2H-Azepin-2-one, 1,3-dihydro-1-(3-dimethylaminopropyl)-3,5,7-trimethyl-, hydrochloride
CID 15492
2H-Azepin-2-one, 1,3-dihydro-1-((2-methyl-2-(1-pyrrolidinyl)ethyl)-3,5,7-trimethyl-, hydrochloride
CID 15919
6-methyl-1H,2H,3H,5H,6H-pyrrolo[2,3-c]pyridin-5-one
CID 71758441
6-ethyl-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1,2-dihydropyridine-4-carboxamide
CID 74245334
N-[(2E,5Z)-5-(3-aminopyrrolidin-1-yl)-6-fluoro-4-propan-2-ylideneocta-2,5,7-trien-3-yl]propanamide
CID 143895451
1-Acetyl-1,2,3,5-tetrahydro-6H-pyrrolo[3,2-c]pyridin-6-one
CID 3645068
N-[(2E,4E,6E)-7-fluoro-5-(pyrrolidin-1-ylmethyl)octa-2,4,6-trien-2-yl]formamide
CID 142246679
N-[(1-isobutylpyrrolidin-3-yl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56711017
5-amino-3-but-2-enyl-4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
CID 57172226
Methyl-[3,4,5-trimethyl-6-[1-methyl-5-oxo-4-[3,4,5-trimethyl-8-(methylamino)octa-3,5,7-trien-2-ylidene]pyrrolidin-2-ylidene]hexa-1,2,4-trienyl]azanium
CID 59952330
3-ethyl-6-methyl-5-[3-(pyrrolidine-1-carbonyl)-1,2-dihydropyridin-6-yl]-1H-pyridin-2-one
CID 69539396

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one (CID 165140918) is 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one is C=C(C)NC/C=C1\CN(C(=O)CC)CC1=C.
What is the InChIKey of 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one?
The InChIKey is GQCCWRMZCWDJMK-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-13(16)15-8-11(4)12(9-15)6-7-14-10(2)3/h6,14H,2,4-5,7-9H2,1,3H3/b12-6+.
What are the key properties of 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one?
1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one has a molecular weight of 220.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-3-methylidene-4-[2-(prop-1-en-2-ylamino)ethylidene]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 165140918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).