3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one

C11H18N2O — CID 91425388

IUPAC3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
SMILESCC=C/C1=N/CCCCCCNC1=O
InChIInChI=1S/C11H18N2O/c1-2-7-10-11(14)13-9-6-4-3-5-8-12-10/h2,7H,3-6,8-9H2,1H3,(H,13,14)/b7-2?,12-10-
InChIKeyWKXUXDWLZJFFCV-GHACNSAASA-N
MW194.28 g/mol
LogP1.69
Rot. Bonds1

About 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one

3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one (PubChem CID 91425388) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one.

Molecular Properties

Compound Name3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
PubChem CID91425388
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
SMILESCC=C/C1=N/CCCCCCNC1=O
InChIInChI=1S/C11H18N2O/c1-2-7-10-11(14)13-9-6-4-3-5-8-12-10/h2,7H,3-6,8-9H2,1H3,(H,13,14)/b7-2?,12-10-
InChIKeyWKXUXDWLZJFFCV-GHACNSAASA-N
XLogP1.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-methylidenehept-6-enyl)-2-methyliminopropanamide
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N-[(Z)-2-methyliminopent-3-enyl]acetamide
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N-propan-2-yl-2H-pyrrole-5-carboxamide
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(Z)-N-(cyclopropylmethyl)-2-ethyliminopent-3-enamide
CID 134479527
(Z)-N-(cyclopropylmethyl)-2-methyliminopent-3-enamide
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(Z)-N-(cyclopropylmethyl)-2-propan-2-yliminopent-3-enamide
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(Z)-N-(cyclopropylmethyl)-2-iminohex-3-enamide
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CID 142959972

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one?
The IUPAC name of 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one (CID 91425388) is 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one.
What is the SMILES notation for 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one?
The canonical SMILES for 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one is CC=C/C1=N/CCCCCCNC1=O.
What is the InChIKey of 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one?
The InChIKey is WKXUXDWLZJFFCV-GHACNSAASA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-7-10-11(14)13-9-6-4-3-5-8-12-10/h2,7H,3-6,8-9H2,1H3,(H,13,14)/b7-2?,12-10-.
What are the key properties of 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one?
3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one is sourced from PubChem (CID 91425388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).