N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide

C10H18N2O2 — CID 86042576

IUPACN-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
SMILESCC(=O)CC(C)(C)N(CC1CC1)N=O
InChIInChI=1S/C10H18N2O2/c1-8(13)6-10(2,3)12(11-14)7-9-4-5-9/h9H,4-7H2,1-3H3
InChIKeyYLZKDGZPVMKDSL-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.14
Rot. Bonds6

About N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide

N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide (PubChem CID 86042576) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
PubChem CID86042576
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
SMILESCC(=O)CC(C)(C)N(CC1CC1)N=O
InChIInChI=1S/C10H18N2O2/c1-8(13)6-10(2,3)12(11-14)7-9-4-5-9/h9H,4-7H2,1-3H3
InChIKeyYLZKDGZPVMKDSL-UHFFFAOYSA-N
XLogP2.14
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide?
The IUPAC name of N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide (CID 86042576) is N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide is CC(=O)CC(C)(C)N(CC1CC1)N=O.
What is the InChIKey of N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide?
The InChIKey is YLZKDGZPVMKDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(13)6-10(2,3)12(11-14)7-9-4-5-9/h9H,4-7H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide?
N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide has a molecular weight of 198.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(2-methyl-4-oxopentan-2-yl)nitrous amide is sourced from PubChem (CID 86042576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).