2-nitrosobutylcyclopropane

C7H13NO — CID 153181054

IUPAC2-nitrosobutylcyclopropane
SMILESCCC(CC1CC1)N=O
InChIInChI=1S/C7H13NO/c1-2-7(8-9)5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKeyWGEHQDIEPOAKOM-UHFFFAOYSA-N
MW127.19 g/mol
LogP2.33
Rot. Bonds4

About 2-nitrosobutylcyclopropane

2-nitrosobutylcyclopropane (PubChem CID 153181054) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-nitrosobutylcyclopropane.

Molecular Properties

Compound Name2-nitrosobutylcyclopropane
PubChem CID153181054
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-nitrosobutylcyclopropane
SMILESCCC(CC1CC1)N=O
InChIInChI=1S/C7H13NO/c1-2-7(8-9)5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKeyWGEHQDIEPOAKOM-UHFFFAOYSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-nitrosobutylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(1-cyclopropylbutan-2-yl)cyclopropanecarboximidamide
CID 63993837
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
1,4-bis(2-fluorobutyl)cyclohexane
CID 91135267
1-cyclopropylbutan-2-ylcyclopentane
CID 142060963
(2-chloro-3-methylpentyl)cyclopropane
CID 130480709
(2S)-1-cyclopropyl-3-nitrosopropan-2-amine
CID 163725548
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
2-ethylpent-3-enylcyclopropane
CID 123730864
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627
2-(1-cyclopropylbutan-2-ylamino)-N-(3-methylbutyl)propanamide
CID 63996720
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059
[2-(cyclopropylmethyl)-3-methylpentyl]cyclobutane
CID 57296236

Frequently Asked Questions

What is the IUPAC name of 2-nitrosobutylcyclopropane?
The IUPAC name of 2-nitrosobutylcyclopropane (CID 153181054) is 2-nitrosobutylcyclopropane.
What is the SMILES notation for 2-nitrosobutylcyclopropane?
The canonical SMILES for 2-nitrosobutylcyclopropane is CCC(CC1CC1)N=O.
What is the InChIKey of 2-nitrosobutylcyclopropane?
The InChIKey is WGEHQDIEPOAKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(8-9)5-6-3-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-nitrosobutylcyclopropane?
2-nitrosobutylcyclopropane has a molecular weight of 127.19 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosobutylcyclopropane is sourced from PubChem (CID 153181054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).