(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine

C8H13N — CID 163730169

IUPAC(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine
SMILESC/C=C\C(=N\C)C1CC1
InChIInChI=1S/C8H13N/c1-3-4-8(9-2)7-5-6-7/h3-4,7H,5-6H2,1-2H3/b4-3-,9-8-
InChIKeyKYXQTEKRIYIMTR-JYKTZQBOSA-N
MW123.20 g/mol
LogP2.04
Rot. Bonds2

About (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine

(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine (PubChem CID 163730169) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine
PubChem CID163730169
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine
SMILESC/C=C\C(=N\C)C1CC1
InChIInChI=1S/C8H13N/c1-3-4-8(9-2)7-5-6-7/h3-4,7H,5-6H2,1-2H3/b4-3-,9-8-
InChIKeyKYXQTEKRIYIMTR-JYKTZQBOSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
(E)-1-cyclopropyl-4,4-difluoro-N,3-dimethylpent-2-en-1-imine
CID 177146204
(E)-1-cyclopropyl-4-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 177146356
(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
CID 177146408
5-cyclopropyl-2H-pyrrole
CID 58270105
(2S)-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 67991604
6-Propan-2-yl-2,3-dihydropyridine
CID 70224591
2-Methyl-6-propan-2-yl-2,3-dihydropyridine
CID 77393444
(Z)-4-cyclopropyl-N,5-dimethylhex-3-en-2-imine
CID 88918446
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-imine
CID 89066210

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine (CID 163730169) is (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine is C/C=C\C(=N\C)C1CC1.
What is the InChIKey of (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine?
The InChIKey is KYXQTEKRIYIMTR-JYKTZQBOSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-8(9-2)7-5-6-7/h3-4,7H,5-6H2,1-2H3/b4-3-,9-8-.
What are the key properties of (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine?
(Z)-1-cyclopropyl-N-methylbut-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-N-methylbut-2-en-1-imine is sourced from PubChem (CID 163730169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).