1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one

C7H12N4O — CID 136635013

IUPAC1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one
SMILES[H]/N=C(\C=C/NC)N1CCNC1=O
InChIInChI=1S/C7H12N4O/c1-9-3-2-6(8)11-5-4-10-7(11)12/h2-3,8-9H,4-5H2,1H3,(H,10,12)/b3-2-,8-6+
InChIKeyIWXFGSMQPZMXEN-LGVURTOVSA-N
MW168.20 g/mol
LogP-0.28
Rot. Bonds2

About 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one

1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one (PubChem CID 136635013) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one
PubChem CID136635013
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one
SMILES[H]/N=C(\C=C/NC)N1CCNC1=O
InChIInChI=1S/C7H12N4O/c1-9-3-2-6(8)11-5-4-10-7(11)12/h2-3,8-9H,4-5H2,1H3,(H,10,12)/b3-2-,8-6+
InChIKeyIWXFGSMQPZMXEN-LGVURTOVSA-N
XLogP-0.28
TPSA68.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one?
The IUPAC name of 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one (CID 136635013) is 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one?
The canonical SMILES for 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one is [H]/N=C(\C=C/NC)N1CCNC1=O.
What is the InChIKey of 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one?
The InChIKey is IWXFGSMQPZMXEN-LGVURTOVSA-N. The full InChI is InChI=1S/C7H12N4O/c1-9-3-2-6(8)11-5-4-10-7(11)12/h2-3,8-9H,4-5H2,1H3,(H,10,12)/b3-2-,8-6+.
What are the key properties of 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one?
1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one is sourced from PubChem (CID 136635013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).