7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one

C10H17N3O — CID 170585661

IUPAC7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one
SMILESCC(C)N1CCC(/C=C\N)=NCC1=O
InChIInChI=1S/C10H17N3O/c1-8(2)13-6-4-9(3-5-11)12-7-10(13)14/h3,5,8H,4,6-7,11H2,1-2H3/b5-3-
InChIKeyHTTMTHBFIVRRSA-HYXAFXHYSA-N
MW195.27 g/mol
LogP0.54
Rot. Bonds2

About 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one

7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one (PubChem CID 170585661) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one.

Molecular Properties

Compound Name7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one
PubChem CID170585661
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one
SMILESCC(C)N1CCC(/C=C\N)=NCC1=O
InChIInChI=1S/C10H17N3O/c1-8(2)13-6-4-9(3-5-11)12-7-10(13)14/h3,5,8H,4,6-7,11H2,1-2H3/b5-3-
InChIKeyHTTMTHBFIVRRSA-HYXAFXHYSA-N
XLogP0.54
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethenyliminopent-4-enyl)-N-methylacetamide
CID 142095802
1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]ethanone
CID 147242123
2-[[(Z)-1-aminopent-1-en-3-ylidene]amino]-N,N-dimethylacetamide
CID 170585456
2-amino-N-[2-[3-ethenyliminopent-4-enyl(methyl)amino]-2-oxoethyl]acetamide
CID 178172509

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one?
The IUPAC name of 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one (CID 170585661) is 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one.
What is the SMILES notation for 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one?
The canonical SMILES for 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one is CC(C)N1CCC(/C=C\N)=NCC1=O.
What is the InChIKey of 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one?
The InChIKey is HTTMTHBFIVRRSA-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-6-4-9(3-5-11)12-7-10(13)14/h3,5,8H,4,6-7,11H2,1-2H3/b5-3-.
What are the key properties of 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one?
7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-2-aminoethenyl]-4-propan-2-yl-5,6-dihydro-2H-1,4-diazepin-3-one is sourced from PubChem (CID 170585661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).