N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide

C9H12N2 — CID 155705669

IUPACN,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
SMILESC=CC(=C)C(N=C)=N/C=C\C
InChIInChI=1S/C9H12N2/c1-5-7-11-9(10-4)8(3)6-2/h5-7H,2-4H2,1H3/b7-5-,11-9-
InChIKeyLRRMTBRWBCQEJH-CXHWBCNXSA-N
MW148.21 g/mol
LogP2.36
Rot. Bonds3

About N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide

N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide (PubChem CID 155705669) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide.

Molecular Properties

Compound NameN,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
PubChem CID155705669
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC NameN,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
SMILESC=CC(=C)C(N=C)=N/C=C\C
InChIInChI=1S/C9H12N2/c1-5-7-11-9(10-4)8(3)6-2/h5-7H,2-4H2,1H3/b7-5-,11-9-
InChIKeyLRRMTBRWBCQEJH-CXHWBCNXSA-N
XLogP2.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
CID 170724337
fluoromethane;methyl 2-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidate
CID 163278180
(2E)-2-ethylidene-3-methylidenepent-4-enal
CID 123838343
(4Z)-2-N-[(Z)-but-2-enylidene]-3-N-[3-[(Z)-prop-1-enyl]iminopenta-1,4-dien-2-yl]hexa-1,4-diene-2,3-diimine
CID 170121296
2,4,4-trimethyl-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 156522568
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
The IUPAC name of N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide (CID 155705669) is N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide.
What is the SMILES notation for N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
The canonical SMILES for N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide is C=CC(=C)C(N=C)=N/C=C\C.
What is the InChIKey of N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
The InChIKey is LRRMTBRWBCQEJH-CXHWBCNXSA-N. The full InChI is InChI=1S/C9H12N2/c1-5-7-11-9(10-4)8(3)6-2/h5-7H,2-4H2,1H3/b7-5-,11-9-.
What are the key properties of N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide?
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide has a molecular weight of 148.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide is sourced from PubChem (CID 155705669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).