N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene

C15H29NO2 — CID 143879791

IUPACN-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.C=C[C@@H]1CC1NC=O.COC(C)(C)C
InChIInChI=1S/C6H9NO.C5H12O.C4H8/c1-2-5-3-6(5)7-4-8;1-5(2,3)6-4;1-4(2)3/h2,4-6H,1,3H2,(H,7,8);1-4H3;1H2,2-3H3/t5-,6?;;/m1../s1
InChIKeyIALXIXNITZKMDN-BLJHELNISA-N
MW255.40 g/mol
LogP3.32
Rot. Bonds3

About N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene

N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene (PubChem CID 143879791) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene.

Molecular Properties

Compound NameN-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene
PubChem CID143879791
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene
SMILESC=C(C)C.C=C[C@@H]1CC1NC=O.COC(C)(C)C
InChIInChI=1S/C6H9NO.C5H12O.C4H8/c1-2-5-3-6(5)7-4-8;1-5(2,3)6-4;1-4(2)3/h2,4-6H,1,3H2,(H,7,8);1-4H3;1H2,2-3H3/t5-,6?;;/m1../s1
InChIKeyIALXIXNITZKMDN-BLJHELNISA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-ethenylcyclopropane-1-carboxylate
CID 14140138
2-ethenyl-1-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-2-yl]cyclopropane-1-carboxylic acid
CID 174563489
methyl (1R)-2-ethenylcyclopropane-1-carboxylate
CID 175542907
trans-(1S,2S)-1-ethenyl-2-(1-methoxy-2-methylprop-1-enyl)cyclopropane
CID 67558410
trans-[(2-methylpropan-2-yl)oxycarbonylamino] (1S,2S)-2-ethenylcyclopropane-1-carboxylate
CID 175137110
dimethyl 5-ethenylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 67802456
carbonic acid;methyl 2-ethenylcyclopropane-1-carboxylate
CID 66957945
2,2-dimethylpropane;2-methoxy-2-methylpropane;methyl acetate
CID 161359364
2-vinylcyclopropyl silane
CID 154724301
2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
CID 102275585
N-(2-tert-butylcyclohexyl)formamide
CID 64990782
N-[(2S)-2-ethenylcyclopropyl]-5-(methylamino)pentanamide
CID 143275965

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene?
The IUPAC name of N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene (CID 143879791) is N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene.
What is the SMILES notation for N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene?
The canonical SMILES for N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene is C=C(C)C.C=C[C@@H]1CC1NC=O.COC(C)(C)C.
What is the InChIKey of N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene?
The InChIKey is IALXIXNITZKMDN-BLJHELNISA-N. The full InChI is InChI=1S/C6H9NO.C5H12O.C4H8/c1-2-5-3-6(5)7-4-8;1-5(2,3)6-4;1-4(2)3/h2,4-6H,1,3H2,(H,7,8);1-4H3;1H2,2-3H3/t5-,6?;;/m1../s1.
What are the key properties of N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene?
N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene has a molecular weight of 255.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethenylcyclopropyl]formamide;2-methoxy-2-methylpropane;2-methylprop-1-ene is sourced from PubChem (CID 143879791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).