methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate

C7H12N2O — CID 177189919

IUPACmethyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
SMILES[H]/N=C(/N=C(C)\C=C/C)OC
InChIInChI=1S/C7H12N2O/c1-4-5-6(2)9-7(8)10-3/h4-5,8H,1-3H3/b5-4-,8-7-,9-6-
InChIKeyRNZHQBGBMKBNSC-IMLOCAFISA-N
MW140.19 g/mol
LogP1.60
Rot. Bonds1

About methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate

methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate (PubChem CID 177189919) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate.

Molecular Properties

Compound Namemethyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
PubChem CID177189919
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Namemethyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
SMILES[H]/N=C(/N=C(C)\C=C/C)OC
InChIInChI=1S/C7H12N2O/c1-4-5-6(2)9-7(8)10-3/h4-5,8H,1-3H3/b5-4-,8-7-,9-6-
InChIKeyRNZHQBGBMKBNSC-IMLOCAFISA-N
XLogP1.60
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 87693670
N-[(E)-hex-3-en-2-ylidene]ethanimidamide
CID 122691937
methyl N-but-3-en-2-ylidenecarbamimidate
CID 123463086
[(4Z)-hexa-1,4-dien-3-ylidene]urea
CID 123714021
N-[(Z)-pent-3-en-2-ylidene]ethanimidamide
CID 143830339
N-[(Z)-hex-3-en-2-ylidene]methanimidamide
CID 166542116
[(Z)-pent-3-en-2-ylidene]urea
CID 173905618
Pent-3-en-2-ylideneurea
CID 174541910
ethane;methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate
CID 177189918

Frequently Asked Questions

What is the IUPAC name of methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
The IUPAC name of methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate (CID 177189919) is methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate.
What is the SMILES notation for methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
The canonical SMILES for methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate is [H]/N=C(/N=C(C)\C=C/C)OC.
What is the InChIKey of methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
The InChIKey is RNZHQBGBMKBNSC-IMLOCAFISA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5-6(2)9-7(8)10-3/h4-5,8H,1-3H3/b5-4-,8-7-,9-6-.
What are the key properties of methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate?
methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate has a molecular weight of 140.19 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NZ)-N-[(Z)-pent-3-en-2-ylidene]carbamimidate is sourced from PubChem (CID 177189919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).